AO-081/40878628
TL;DR: AO-081/40878628 (CAS 495387-95-6) is a chemical compound with molecular formula C21H18F3N3O2 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: AO-081/40878628, 9-phenyl-2-[3-(trifluoromethyl)phenyl]tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione, 9-phenyl-2-(3-(trifluoromethyl)phenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
| Molecular Formula | C21H18F3N3O2 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.241 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.1351 |
| Heavy Atoms | 29 |
| Complexity | 978.63666 |
Chemical Identifiers
| CAS Number | 495387-95-6 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5 |
Product Overview
AO-081/40878628 (CAS 495387-95-6), with molecular formula C21H18F3N3O2 and molecular weight 401.14 g/mol. IUPAC: 7-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of AO-081/40878628
Property Insights of AO-081/40878628
The XLogP value of 3.241 indicates that AO-081/40878628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, AO-081/40878628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40878628 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40878628?
The CAS number of AO-081/40878628 is 495387-95-6.
What is the molecular formula of AO-081/40878628?
The molecular formula of AO-081/40878628 is C21H18F3N3O2.
What is the molecular weight of AO-081/40878628?
The molecular weight of AO-081/40878628 is 401.14 g/mol.
Where can I buy AO-081/40878628?
You can request a quote for AO-081/40878628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40878628?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40878628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.